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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 50237170   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50237170
PNG
(CHEMBL4059623)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NCCN2CCN(CC2)C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C26H31N5O3S/c27-35(33,34)24-13-11-23(12-14-24)29-26(32)28-15-16-30-17-19-31(20-18-30)25(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,25H,15-20H2,(H2,27,33,34)(H2,28,29,32)
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Article
PubMed
8.70n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 2456-2469 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01804
BindingDB Entry DOI: 10.7270/Q25X2C6G
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50237170
PNG
(CHEMBL4059623)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NCCN2CCN(CC2)C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C26H31N5O3S/c27-35(33,34)24-13-11-23(12-14-24)29-26(32)28-15-16-30-17-19-31(20-18-30)25(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,25H,15-20H2,(H2,27,33,34)(H2,28,29,32)
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Article
PubMed
3.30E+3n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 2456-2469 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01804
BindingDB Entry DOI: 10.7270/Q25X2C6G
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50237170
PNG
(CHEMBL4059623)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NCCN2CCN(CC2)C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C26H31N5O3S/c27-35(33,34)24-13-11-23(12-14-24)29-26(32)28-15-16-30-17-19-31(20-18-30)25(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,25H,15-20H2,(H2,27,33,34)(H2,28,29,32)
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PubMed
>5.00E+4n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
In vitro inhibition of human recombinant AChE.


J Med Chem 60: 2456-2469 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01804
BindingDB Entry DOI: 10.7270/Q25X2C6G
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50237170
PNG
(CHEMBL4059623)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)NCCN2CCN(CC2)C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C26H31N5O3S/c27-35(33,34)24-13-11-23(12-14-24)29-26(32)28-15-16-30-17-19-31(20-18-30)25(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,25H,15-20H2,(H2,27,33,34)(H2,28,29,32)
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Article
PubMed
>5.00E+4n/an/an/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 7 incubated for 15 mins prior to testing by stopped flow CO2 hydration assay


J Med Chem 60: 2456-2469 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01804
BindingDB Entry DOI: 10.7270/Q25X2C6G
More data for this
Ligand-Target Pair